4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

C14H26N2O3 — CID 83220540

IUPAC4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCC(C)N1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11-7-6-10(2)16(11)13(19)15-14(3,4)9-8-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLNAUNOCCVDXGHL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.60
Rot. Bonds5

About 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 83220540) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID83220540
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCC(C)N1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11-7-6-10(2)16(11)13(19)15-14(3,4)9-8-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyLNAUNOCCVDXGHL-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
3-[tert-butyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83219291
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 83218786
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62332382
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)-methylamino]butanoic acid
CID 83220649
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 83220540) is 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is CCC1CCC(C)N1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is LNAUNOCCVDXGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11-7-6-10(2)16(11)13(19)15-14(3,4)9-8-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 83220540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).